(2S)-1-[2-[[4-(pyridin-2-ylamino)cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[[4-(pyridin-2-ylamino)cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[4-(2-pyridylamino)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[1-oxo-2-[[4-(2-pyridinylamino)cyclohexyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[4-(pyridin-2-ylamino)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[4-(2-pyridylamino)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C18H25N5O MolecularWeight: 327.424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)NC3=CC=CC=N3)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC2CCC(CC2)NC3=CC=CC=N3)C#N

InChI

InChI=1S/C18H25N5O/c19-12-16-4-3-11-23(16)18(24)13-21-14-6-8-15(9-7-14)22-17-5-1-2-10-20-17/h1-2,5,10,14-16,21H,3-4,6-9,11,13H2,(H,20,22)/t14?,15?,16-/m0/s1